(E)-but-2-enedioic acid; 2-(2-methoxy-4-methylsulfinyl-phenyl)-3H-imidazo[4,5-c]pyridine

Systemtic Name: (E)-but-2-enedioic acid; 2-(2-methoxy-4-methylsulfinyl-phenyl)-3H-imidazo[4,5-c]pyridine Openeye Name: fumaric acid; 2-(2-methoxy-4-methylsulfinyl-phenyl)-3H-imidazo[4,5-c]pyridine CAS Name: (E)-2-butenedioic acid; 2-(2-methoxy-4-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine IUPAC Name: (E)-but-2-enedioic acid; 2-(2-methoxy-4-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine Traditional Name: fumaric acid; 2-(2-methoxy-4-methylsulfinyl-phenyl)-3H-imidazo[4,5-c]pyridine Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)C)C2=NC3=C(N2)C=NC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)C)C2=NC3=C(N2)C=NC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H13N3O2S.C4H4O4/c1-19-13-7-9(20(2)18)3-4-10(13)14-16-11-5-6-15-8-12(11)17-14;5-3(6)1-2-4(7)8/h3-8H,1-2H3,(H,16,17);1-2H,(H,5,6)(H,7,8)/b;2-1+